2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide

C20H20N4O2S — CID 78797290

IUPAC2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C20H20N4O2S/c1-13-7-8-14(2)17(11-13)24-10-9-22-20(24)27-12-18(25)23-16-6-4-3-5-15(16)19(21)26/h3-11H,12H2,1-2H3,(H2,21,26)(H,23,25)
InChIKeyPRGCCNXREPERNQ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.32
Rot. Bonds6

About 2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide

2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide (PubChem CID 78797290) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
PubChem CID78797290
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C20H20N4O2S/c1-13-7-8-14(2)17(11-13)24-10-9-22-20(24)27-12-18(25)23-16-6-4-3-5-15(16)19(21)26/h3-11H,12H2,1-2H3,(H2,21,26)(H,23,25)
InChIKeyPRGCCNXREPERNQ-UHFFFAOYSA-N
XLogP3.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43027460
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519002
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161
3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide
CID 60557721
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]acetamide
CID 55723941
3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 24651767
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
CID 86972032
benzyl (2R)-3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2-hydroxypropanoate
CID 97259855
N-(5-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870894
N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide
CID 39754867

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of 2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide (CID 78797290) is 2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide is Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is PRGCCNXREPERNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-7-8-14(2)17(11-13)24-10-9-22-20(24)27-12-18(25)23-16-6-4-3-5-15(16)19(21)26/h3-11H,12H2,1-2H3,(H2,21,26)(H,23,25).
What are the key properties of 2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide?
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 78797290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).